title: 1,2,3-triazoles: gas phase properties.
abstract: 1,2,3-Triazoles have come to the forefront as compounds of import in a vast number of applications. The fundamental properties of these species, however, remain largely unknown. Herein, the gas phase properties of 4-phenyl-1,2,3-triazole, benzotriazole, and a series of 1-phenylbenzotriazoles are described. Proton affinity and acidity values are computed and measured. Furthermore, ion-molecule reactions and H/D exchange studies are used to ascertain tautomer prevalence for the 4-phenyl species.
authors.affiliation: Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, New Brunswick, New Jersey 08901, United States.
authors.forename: Kai
authors.initials: K
authors.lastname: Wang
authors.forename: Mu
authors.initials: M
authors.lastname: Chen
authors.forename: Qiaoyi
authors.initials: Q
authors.lastname: Wang
authors.forename: Xiaodong
authors.initials: X
authors.lastname: Shi
authors.forename: Jeehiun K
authors.initials: JK
authors.lastname: Lee
mesh_terms: D005740:Gases / Q000737:chemistry*; D015394:Molecular Structure; D011789:Quantum Theory; D014230:Triazoles / Q000737:chemistry*
chemical_list: D005740:Gases; D014230:Triazoles